6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone

C20H17F2N3O — CID 138038708

IUPAC6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone
SMILESCc1cc(F)ccc1-c1ccc(C(=O)N2CCCn3nccc32)cc1F
InChIInChI=1S/C20H17F2N3O/c1-13-11-15(21)4-6-16(13)17-5-3-14(12-18(17)22)20(26)24-9-2-10-25-19(24)7-8-23-25/h3-8,11-12H,2,9-10H2,1H3
InChIKeyXKFJMGMCOCKFHM-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.19
Rot. Bonds2

About 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone

6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone (PubChem CID 138038708) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone
PubChem CID138038708
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone
SMILESCc1cc(F)ccc1-c1ccc(C(=O)N2CCCn3nccc32)cc1F
InChIInChI=1S/C20H17F2N3O/c1-13-11-15(21)4-6-16(13)17-5-3-14(12-18(17)22)20(26)24-9-2-10-25-19(24)7-8-23-25/h3-8,11-12H,2,9-10H2,1H3
InChIKeyXKFJMGMCOCKFHM-UHFFFAOYSA-N
XLogP4.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone (CID 138038708) is 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone is Cc1cc(F)ccc1-c1ccc(C(=O)N2CCCn3nccc32)cc1F.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone?
The InChIKey is XKFJMGMCOCKFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-13-11-15(21)4-6-16(13)17-5-3-14(12-18(17)22)20(26)24-9-2-10-25-19(24)7-8-23-25/h3-8,11-12H,2,9-10H2,1H3.
What are the key properties of 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone?
6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone has a molecular weight of 353.37 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]methanone is sourced from PubChem (CID 138038708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).